N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]but-3-enamide

Systemtic Name: N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]but-3-enamide Openeye Name: N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]but-3-enamide CAS Name: N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]-3-butenamide IUPAC Name: N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]but-3-enamide Traditional Name: N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]but-3-enamide Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

Isomeric SMILES

C=CCC(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

InChI

InChI=1S/C15H15N3O2/c1-2-3-13(19)16-10-6-4-9(5-7-10)14-11-8-12(11)15(20)18-17-14/h2,4-7,11-12H,1,3,8H2,(H,16,19)(H,18,20)